Geometry & MOs

Info

ID:	358157
PubChem CID:	127295702
Reduced:	O2N3C23H35 (1)
Stoich.:	A2B3C23D35 (1)
Weight, g/mol:	346.24811
ΔH_f, kcal/mol:	-104.12
Dipole, Da:	1.48
IP(EA), eV:	-9.28(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-piperidin-1-yl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCCC(C1=CC=CC=C1)NC(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations